4-[2-[4-(3-imidazol-1-ylpropanoyl)morpholin-2-yl]ethyl]-1H-pyrimidin-6-one

C16H21N5O3 — CID 136844736

IUPAC4-[2-[4-(3-imidazol-1-ylpropanoyl)morpholin-2-yl]ethyl]-1H-pyrimidin-6-one
SMILESO=C(CCn1ccnc1)N1CCOC(CCc2cc(=O)[nH]cn2)C1
InChIInChI=1S/C16H21N5O3/c22-15-9-13(18-11-19-15)1-2-14-10-21(7-8-24-14)16(23)3-5-20-6-4-17-12-20/h4,6,9,11-12,14H,1-3,5,7-8,10H2,(H,18,19,22)
InChIKeyRMEPKCNMTCXLHA-UHFFFAOYSA-N
MW331.38 g/mol
LogP0.22
Rot. Bonds6

About 4-[2-[4-(3-imidazol-1-ylpropanoyl)morpholin-2-yl]ethyl]-1H-pyrimidin-6-one

4-[2-[4-(3-imidazol-1-ylpropanoyl)morpholin-2-yl]ethyl]-1H-pyrimidin-6-one (PubChem CID 136844736) has the molecular formula C16H21N5O3 and a molecular weight of 331.38 g/mol. Its IUPAC name is 4-[2-[4-(3-imidazol-1-ylpropanoyl)morpholin-2-yl]ethyl]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-[2-[4-(3-imidazol-1-ylpropanoyl)morpholin-2-yl]ethyl]-1H-pyrimidin-6-one
PubChem CID136844736
Molecular FormulaC16H21N5O3
Molecular Weight331.38 g/mol
Exact Mass331.16
IUPAC Name4-[2-[4-(3-imidazol-1-ylpropanoyl)morpholin-2-yl]ethyl]-1H-pyrimidin-6-one
SMILESO=C(CCn1ccnc1)N1CCOC(CCc2cc(=O)[nH]cn2)C1
InChIInChI=1S/C16H21N5O3/c22-15-9-13(18-11-19-15)1-2-14-10-21(7-8-24-14)16(23)3-5-20-6-4-17-12-20/h4,6,9,11-12,14H,1-3,5,7-8,10H2,(H,18,19,22)
InChIKeyRMEPKCNMTCXLHA-UHFFFAOYSA-N
XLogP0.22
TPSA93.11 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.38
LogP ≤ 50.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-[2-[(2R)-4-[4-(1,2,4-triazol-1-yl)butanoyl]morpholin-2-yl]ethyl]-1H-pyrimidin-6-one
CID 137106048
4-[2-[4-[3-(1,3-dimethylpyrazol-4-yl)propanoyl]morpholin-2-yl]ethyl]-1H-pyrimidin-6-one
CID 136793128
4-[2-[(2R)-4-[3-(2-fluorophenyl)propanoyl]morpholin-2-yl]ethyl]-1H-pyrimidin-6-one
CID 137030447
1-[2-(hydroxymethyl)morpholin-4-yl]-3-imidazol-1-ylpropan-1-one
CID 81208109
4-[2-[(2S)-4-[2-(4-methylpyrazol-1-yl)acetyl]morpholin-2-yl]ethyl]-1H-pyrimidin-6-one
CID 137140122
4-[2-[(2R)-4-[2-(3,5-dimethylpyrazol-1-yl)acetyl]morpholin-2-yl]ethyl]-1H-pyrimidin-6-one
CID 137037840
4-[2-[(2R)-4-(2-thiophen-2-ylacetyl)morpholin-2-yl]ethyl]-1H-pyrimidin-6-one
CID 137168578
4-[2-[(2S)-4-(1-methylpyrazole-4-carbonyl)morpholin-2-yl]ethyl]-1H-pyrimidin-6-one
CID 137140053
4-[2-[(2R)-4-[2-(2-methyl-1,3-thiazol-4-yl)acetyl]morpholin-2-yl]ethyl]-1H-pyrimidin-6-one
CID 137131781
4-[2-[(2S)-4-(4-methyl-1,3-oxazole-5-carbonyl)morpholin-2-yl]ethyl]-1H-pyrimidin-6-one
CID 137044881
4-[2-[4-(4-methyl-1,3-thiazole-5-carbonyl)morpholin-2-yl]ethyl]-1H-pyrimidin-6-one
CID 136844658
4-[2-[4-(2,3-dihydro-1H-indene-5-carbonyl)morpholin-2-yl]ethyl]-1H-pyrimidin-6-one
CID 136844752

Frequently Asked Questions

What is the IUPAC name of 4-[2-[4-(3-imidazol-1-ylpropanoyl)morpholin-2-yl]ethyl]-1H-pyrimidin-6-one?
The IUPAC name of 4-[2-[4-(3-imidazol-1-ylpropanoyl)morpholin-2-yl]ethyl]-1H-pyrimidin-6-one (CID 136844736) is 4-[2-[4-(3-imidazol-1-ylpropanoyl)morpholin-2-yl]ethyl]-1H-pyrimidin-6-one.
What is the SMILES notation for 4-[2-[4-(3-imidazol-1-ylpropanoyl)morpholin-2-yl]ethyl]-1H-pyrimidin-6-one?
The canonical SMILES for 4-[2-[4-(3-imidazol-1-ylpropanoyl)morpholin-2-yl]ethyl]-1H-pyrimidin-6-one is O=C(CCn1ccnc1)N1CCOC(CCc2cc(=O)[nH]cn2)C1.
What is the InChIKey of 4-[2-[4-(3-imidazol-1-ylpropanoyl)morpholin-2-yl]ethyl]-1H-pyrimidin-6-one?
The InChIKey is RMEPKCNMTCXLHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N5O3/c22-15-9-13(18-11-19-15)1-2-14-10-21(7-8-24-14)16(23)3-5-20-6-4-17-12-20/h4,6,9,11-12,14H,1-3,5,7-8,10H2,(H,18,19,22).
What are the key properties of 4-[2-[4-(3-imidazol-1-ylpropanoyl)morpholin-2-yl]ethyl]-1H-pyrimidin-6-one?
4-[2-[4-(3-imidazol-1-ylpropanoyl)morpholin-2-yl]ethyl]-1H-pyrimidin-6-one has a molecular weight of 331.38 g/mol, XLogP of 0.22, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[4-(3-imidazol-1-ylpropanoyl)morpholin-2-yl]ethyl]-1H-pyrimidin-6-one is sourced from PubChem (CID 136844736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).